2-[[4-(2-hydroxyethylamino)phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid

Systemtic Name: 2-[[4-(2-hydroxyethylamino)phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Openeye Name: 2-[4-(2-hydroxyethylamino)phenyl]azo-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid CAS Name: 2-[4-(2-hydroxyethylamino)phenyl]azo-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid IUPAC Name: 2-[[4-(2-hydroxyethylamino)phenyl]diazenyl]-5-(2-sulfooxyethylsulfonyl)benzenesulfonic acid Traditional Name: 2-[4-(2-hydroxyethylamino)phenyl]azo-5-(2-sulfoxyethylsulfonyl)besylic acid Formula: C16H19N3O10S3 MolecularWeight: 509.53116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCO)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NCCO)N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H19N3O10S3/c20-8-7-17-12-1-3-13(4-2-12)18-19-15-6-5-14(11-16(15)31(23,24)25)30(21,22)10-9-29-32(26,27)28/h1-6,11,17,20H,7-10H2,(H,23,24,25)(H,26,27,28)